Molecule

ID:84190

General Information
Structure
MolImage
Molecular Formula
C₇H₉NO
Molecular Mass
123.15246
Exact Mass
123.06841391
Charge
0
InChI
InChI=1S/C7H9NO/c1-5-3-6(2)8-7(9)4-5/h3-4H,1-2H3,(H,8,9)
InChIKey
FSPIBFKGESGOLU-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)nc(c1)O
Isomeric Smiles
n1c(cc(cc1C)C)O
Calculated Properties
JChem
Acid pKa
12.009287
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6912371
LogD (pH = 7.4)
1.6912464
Log P
1.6912571
Molar Refractivity
35.8282
Polarizability
13.563236
Polar Surface Area
33.12
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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